task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)/C(=C\Nn2cnnc2)C(=O)N=C1[O-]
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
O=C1N=C([O-])N(c2ccc(Cl)cc2)C(=O)/C1=C\Nn1cnnc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@@H]1C=CS(=O)(=O)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@H](CCc1ccc(F)c(F)c1)NC(=O)Cc1ccc[nH]1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1CC[C@@](c2nc(-c3c[nH]nc3)on2)(C1)c1ccc(cc1)F
### Response:
Fc1ccc([C@@]2(c3noc(-c4cn[nH]c4)n3)CCOC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1cccc(Cl)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCCc1nc(-c2ccc(Br)o2)no1)C1CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC(O)CC1
Fragment 2: [4*][C@@H](C)c1ccc(F)cn1
### Response:
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)C[7*]
Fragment 2: [7*]Cc1cc(OC)c2c(c1)OCCO2
### Response:
COc1cc(/C=C/C(=O)c2cc3cccc(OC)c3o2)cc2c1OCCO2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-]C1=C(C(c2cccc(c2)OC)=O)[C@@H](c2ccc(cc2)O)N(C1=O)Cc1ccncc1
### Response:
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1COc2ccc(F)cc2C1
Fragment 2: [5*]Nc1c(C)cnn1[9*]
### Response:
Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1COc2ccc(F)cc2C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc([16*])ccc1C
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NC[C@H](C)C#N)c2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc2N(C(CCCc2c1)=O)[C@H](CC)C(=O)NCCOC
### Response:
CC[C@H](C(=O)NCCOC)N1C(=O)CCCc2ccccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccn[nH]1)N1C[C@@H](CC1)Nc1ccccc1
### Response:
c1ccc(N[C@@H]2CCN(Cc3ccn[nH]3)C2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](C)C(=O)[O-]
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1sc(N/N=C/c2cccs2)nc1[14*]
Fragment 2: [1*]C(C)=O
### Response:
CC(=O)Nc1sc(N/N=C/c2cccs2)nc1-c1ccc(C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccncc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COCCCC(=O)N[C@H](C(N)=S)C1CCCCC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
N#CCc1nc(-c2ccncc2)cs1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(NC(N[C@H]2CCCCC[C@@H]2C(OC)=O)=O)cnn1C(C)C
### Response:
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1cnn(C(C)C)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccccc1O[C@@H]1CCCC[C@@H]1[NH3+]
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(O[C@@H](C)C(Nc2c(c(NC(CC)=O)ccc2)C)=O)ccc1
### Response:
CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1[nH]c([nH+]c1)[C@@H]1CCCN(C1)C(=O)NCCCOC1CCOCC1
### Response:
O=C(NCCCOC1CCOCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cn1c(NC(=O)C(Nc2c(C)n(-c3ccccc3)nc2)=O)cc(n1)C
### Response:
Cc1cc(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)n(C)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@H]([13*])OC[C@@H]1C
Fragment 2: [16*]c1ccccc1
### Response:
COC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)[C@@H](C)C1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2c(c1)N(C)C(=O)[C@](C)(C(=O)N1CCC(C)CC1)O2
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1Cl
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [8*]CCCC
### Response:
C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1CCN(C([1*])=O)CC1
Fragment 2: [1*]C(=O)C1CCN([5*])CC1
### Response:
CCCCCC[C@@H](C)NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(C)C[NH+](C(C)(CNC(=O)Cc2c(noc2CC)CC)C)CCC1
### Response:
CCc1noc(CC)c1CC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(C)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(S(=O)(N)=O)CCc2ccc(cc12)NC(c1cc(Cl)sc1Cl)=O
### Response:
NS(=O)(=O)N1CCc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC(CC1)NC(=O)c1cc2n([C@H](C(F)(F)F)C[C@H](c3cc(OC)c(cc3)OC)N2)n1
### Response:
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3N2)cc1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(O)(CNc2c(S(C(F)(F)F)(=O)=O)cc(F)cc2)CCO1
### Response:
O=S(=O)(c1cc(F)ccc1NCC1(O)CCOCC1)C(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(=O)c1cc(NC(=O)NCc2ccccn2)c(F)cc1F
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCn1nc(-c2cccs2)oc1=O)N1CCN(Cc2cccc3ccccc23)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12
Fragment 2: [5*]NCCOC
### Response:
COCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
OCc1cn2c(n1)OC(Cl)=CC2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@H](C)[NH+]([C@H]1C)CC(=O)NCc1cc(c(cc1OC)OC)OC
### Response:
COc1cc(OC)c(OC)cc1CNC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[NH+](C)CCn1cc(NC(=O)Nc2ccc3oc(=O)ccc3c2)cn1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCCC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCc1noc([C@H](C)[NH+]2CCC(CNC(C)=O)CC2)n1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(C[NH+](CCC(=O)N(C)C)C[C@@H]1O)O
### Response:
CN(C)C(=O)CC[NH+]1C[C@@H](O)[C@@H](O)C1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC(C)CCc1noc(C[NH+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)n1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(-c2csc(NC(=O)CSc3nc(N)cc(N)n3)n2)c(C)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H](C)C[8*]
Fragment 2: [4*][C@@H](C)C[8*]
### Response:
C[C@H](N[C@@H](C)C[C@@H]1CCCC[NH2+]1)c1cccc(O)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1c(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cnn1C(C)C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Nc1nc2c(s1)COCC2)N1CCSC2(CCCCC2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC([C@H]2CN(CC3CC3)C(C2)=O)=O)ccc(cc1)CC#N
### Response:
N#CCc1ccc(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCSc1nncn1-c1ccccc1)Nc1ccccc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2Cc1ccccc1F
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@H]([C@H](C)C1)OCC[NH+]1CCC(CC1)NC(=O)N
### Response:
C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(NC(N)=O)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CSc1nnc(S[C@H](C(=O)Nc2ccc(C)c(C)c2)C(C)C)s1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(OCc1cn2ccccc2n1)c1ccc(Cn2nnc3ccccc32)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CC)[C@H]1CC[NH+](C[C@H](O)c2c(F)cccc2F)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cccnc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(CCCC(C)C)c(=O)[nH]c1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCn1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](C)C)n1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1c(C(=O)N[C@@H](COc2ccc(cc2)F)C)c(Cl)c(C2CC2)n1
### Response:
C[C@H](COc1ccc(F)cc1)NC(=O)c1[nH]nc(C2CC2)c1Cl |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C=Cn1cc(C[NH+]2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)C2)cn1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(Cc1ccccc1OC)C1CC[NH+](C)CC1)(=S)Nc1c(C)cc(Cl)cc1
### Response:
COc1ccccc1CN(C(=S)Nc1ccc(Cl)cc1C)C1CC[NH+](C)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1cccc(/C=C2\SC(=S)N(c3c(C)cccc3C)C2=O)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
S=c1n(CN2CCOCC2)cnn1CN1CCOCC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-c2cnc(CN3C[C@H](C)OCC3(C)C)o2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)-c1ncn(CCCN2CCOCC2)c1-c1[nH]ccn1
### Response:
c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ncc[nH]2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [4*]CCO
### Response:
CCCN(CCO)C(=O)Nc1cccc(OC)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(S(=O)(=O)N2CCCCCC2)c1)NC(=O)Cc1[nH+]c2n(cccc2C)c1
### Response:
Cc1cccn2cc(CC(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)[nH+]c12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[8*]
Fragment 2: [5*]N(C)c1ccc([16*])cc1
### Response:
CN(c1ccc(-c2csc(NC(=O)Cc3csc(-c4ccsc4)n3)n2)cc1)S(C)(=O)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(NC(=O)[C@H](C)S[C@H](C)[C@@H](C)O)c(Cl)c1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
s1c(ncc1)SCC(Nc1scc(n1)-c1ccccc1)=O
### Response:
O=C(CSc1nccs1)Nc1nc(-c2ccccc2)cs1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(NC1CC1)c1cccc(NCc2ccc(Cl)o2)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc(C)c(S[11*])s1
Fragment 2: [4*]CC(N)=O
### Response:
Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1SCC(N)=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1Nc2c(ccc([N+](=O)[O-])c2C)[C@H]2C=CC[C@@H]12
Fragment 2: [16*]c1ccccc1[16*]
### Response:
CCOc1ccccc1[C@@H]1Nc2c(ccc([N+](=O)[O-])c2C)[C@H]2C=CC[C@H]21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[NH+]1CCC[C@@H](O)C1)Nc1cccc(NC(=O)c2ccccc2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC1(CC)CC1
Fragment 2: [5*]N(C)C[8*]
### Response:
CCC1(CNC(=O)N(C)Cc2ncnn2C)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1CCN(C(=O)COC(=O)c2cccs2)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1cccnc1Cl)N(CC(C)C)C[C@@H](c1ccc(F)cc1)O
### Response:
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12OC[C@H](Cc1cccc2OC)C(=O)N1CCC[C@@H](C1)c1ccn[nH]1
### Response:
COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@H](c3ccn[nH]3)C1)C2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1F)[C@H](CO)Cc1c(c(nn1CC)C)Br
### Response:
CCn1nc(C)c(Br)c1C[C@@H](CO)c1ccccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [5*]Nc1ccc([16*])cc1[N+](=O)[O-]
### Response:
CCOc1ccc(NC(=O)[C@@H](C)O)c([N+](=O)[O-])c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)C[C@@H](C)NC(=O)NCc1ncoc1C
### Response:
6 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]2[C@@H]2CCC[NH+]21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(Cl)c1)-n1nc(cc1)C(Oc1ccc(C(OC)=O)cc1)=O
### Response:
COC(=O)c1ccc(OC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)[C@@H]1CCCCN1CC(=O)N1CCCc2cc(OC)ccc21
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])C1CC1
Fragment 2: [1*]C(=O)[C@@H]1CCCC[NH+]1C
### Response:
CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1)C1CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[NH+](C(C)C)CC3)c2C2CC2)n1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1Oc2ccccc2[C@@H]2[C@@]1(C(=O)N1CCOCC1)[C@]21Cc2ccccc2C1=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1
### Response:
Yes |
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